Geometry & MOs

Info

ID:	337080
PubChem CID:	127256645
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	264.118401
ΔH_f, kcal/mol:	-130.42
Dipole, Da:	3.56
IP(EA), eV:	-9.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-butyl-3-phenylsulfanyloxan-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)/C(=C(/CC)\NOCC)/C(=O)O1

DOS

IR

Vibrations